2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine

C14H23N3O — CID 80653990

IUPAC2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COC2CCCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-11-9-13(15-2)17-14(16-11)10-18-12-7-5-3-4-6-8-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyGQYKWLKPNBMUAZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.07
Rot. Bonds4

About 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine

2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 80653990) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID80653990
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COC2CCCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-11-9-13(15-2)17-14(16-11)10-18-12-7-5-3-4-6-8-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyGQYKWLKPNBMUAZ-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 80654838
N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine
CID 80654781
2-[(3-methoxycyclohexyl)oxymethyl]-N,6-dimethylpyrimidin-4-amine
CID 80654151
2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 106205209
N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine
CID 80654787
4-(cycloheptyloxymethyl)-N-methylpyridin-2-amine
CID 62464617
6-(cyclohexyloxymethyl)-N-methylpyridin-2-amine
CID 79239011
2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657640
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80653912
4-chloro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrimidine
CID 80663192
2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62189947

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine (CID 80653990) is 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(COC2CCCCCC2)n1.
What is the InChIKey of 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is GQYKWLKPNBMUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-13(15-2)17-14(16-11)10-18-12-7-5-3-4-6-8-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine?
2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80653990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).